Geometry & MOs

Info

ID:	248213
PubChem CID:	103079748
Reduced:	O2N6C9H12 (1)
Stoich.:	A2B6C9D12 (1)
Weight, g/mol:	315.96296
ΔH_f, kcal/mol:	64.64
Dipole, Da:	4.32
IP(EA), eV:	-8.96(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations